## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
296 |
78 |
16199 |
◊ |
A |
x,y,z |
1_555 |
293 |
77 |
15640 |
2892.4 |
-50.6 |
0.001 |
19 |
10 |
1 |
0.298 |
2 |
2 |
|
B |
76 |
20 |
16199 |
x |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
76 |
21 |
16199 |
728.0 |
-5.4 |
0.432 |
7 |
4 |
0 |
0.000 |
3 |
3 |
|
[TPP]B:308 |
26 |
1 |
587 |
f |
B |
x,y,z |
1_555 |
68 |
22 |
16199 |
379.5 |
-5.4 |
0.568 |
4 |
0 |
0 |
0.075 |
4 |
|
[TPP]A:308 |
26 |
1 |
588 |
f |
A |
x,y,z |
1_555 |
65 |
22 |
15640 |
378.0 |
-7.4 |
0.424 |
4 |
0 |
0 |
0.075 |
Average: |
378.7 |
-6.4 |
0.496 |
4 |
0 |
0 |
0.075 |
4 |
5 |
|
A |
37 |
13 |
15640 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
47 |
17 |
15640 |
373.5 |
-3.4 |
0.397 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
A |
46 |
10 |
15640 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
8 |
16199 |
353.2 |
0.7 |
0.679 |
5 |
3 |
0 |
0.000 |
6 |
7 |
|
A |
33 |
11 |
15640 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
32 |
8 |
16199 |
253.8 |
-3.9 |
0.261 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[ADP]B:307 |
25 |
1 |
539 |
f |
A |
x,y,z |
1_555 |
43 |
21 |
15640 |
238.3 |
-4.0 |
0.591 |
3 |
0 |
0 |
0.050 |
9 |
|
[ADP]A:307 |
25 |
1 |
534 |
f |
B |
x,y,z |
1_555 |
43 |
19 |
16199 |
234.8 |
-4.1 |
0.571 |
3 |
0 |
0 |
0.050 |
Average: |
236.5 |
-4.0 |
0.581 |
3 |
0 |
0 |
0.050 |
8 |
10 |
|
A |
21 |
6 |
15640 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
22 |
8 |
16199 |
210.7 |
-3.7 |
0.178 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[ADP]B:307 |
16 |
1 |
539 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
16199 |
137.4 |
0.1 |
0.715 |
6 |
0 |
0 |
0.019 |
12 |
|
[ADP]A:307 |
16 |
1 |
534 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
15640 |
137.0 |
0.2 |
0.713 |
4 |
0 |
0 |
0.019 |
Average: |
137.2 |
0.1 |
0.714 |
5 |
0 |
0 |
0.019 |
10 |
13 |
|
A |
12 |
4 |
15640 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
4 |
16199 |
76.1 |
1.3 |
0.812 |
0 |
1 |
0 |
0.000 |
11 |
14 |
|
A |
5 |
2 |
15640 |
x |
A |
x-1,y,z |
1_455 |
7 |
4 |
15640 |
51.5 |
1.5 |
0.871 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[MG]A:312 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15640 |
41.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
16 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16199 |
40.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
41.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
13 |
17 |
|
[MG]B:312 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16199 |
37.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.053 |
18 |
|
[MG]A:309 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15640 |
37.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
37.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.053 |
14 |
19 |
|
[MG]A:310 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15640 |
34.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.046 |
20 |
|
[MG]B:309 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
16199 |
33.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
34.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
15 |
21 |
|
[ADP]B:307 |
7 |
1 |
539 |
f |
[TPP]A:308 |
x,y,z |
1_555 |
4 |
1 |
588 |
32.5 |
-3.0 |
0.379 |
0 |
0 |
0 |
0.024 |
22 |
|
[ADP]A:307 |
6 |
1 |
534 |
f |
[TPP]B:308 |
x,y,z |
1_555 |
4 |
1 |
587 |
30.4 |
-2.2 |
0.435 |
0 |
0 |
0 |
0.024 |
Average: |
31.4 |
-2.6 |
0.407 |
0 |
0 |
0 |
0.024 |
16 |
23 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
[TPP]B:308 |
x,y,z |
1_555 |
5 |
1 |
587 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.046 |
24 |
|
[MG]A:312 |
1 |
1 |
98 |
f |
[TPP]A:308 |
x,y,z |
1_555 |
4 |
1 |
588 |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
30.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.046 |
17 |
25 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16199 |
30.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.038 |
26 |
|
[MG]A:313 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15640 |
30.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
30.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.038 |
18 |
27 |
|
[TPP]A:308 |
5 |
1 |
588 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
16199 |
29.8 |
-1.5 |
0.542 |
1 |
0 |
0 |
0.015 |
28 |
|
[TPP]B:308 |
4 |
1 |
587 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15640 |
29.1 |
-1.4 |
0.493 |
0 |
0 |
0 |
0.015 |
Average: |
29.4 |
-1.5 |
0.518 |
1 |
0 |
0 |
0.015 |
19 |
29 |
|
[ADP]B:307 |
6 |
1 |
539 |
f |
[MG]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
30 |
|
[ADP]A:307 |
5 |
1 |
534 |
f |
[MG]B:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
25.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
20 |
31 |
|
[ADP]A:307 |
4 |
1 |
534 |
f |
[MG]A:314 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
32 |
|
[ADP]B:307 |
4 |
1 |
539 |
f |
[MG]A:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
24.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
21 |
33 |
|
[ADP]A:307 |
3 |
1 |
534 |
f |
[MG]B:312 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.032 |
34 |
|
[ADP]B:307 |
2 |
1 |
539 |
f |
[MG]A:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
22.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.032 |
22 |
35 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
[TPP]A:308 |
x,y,z |
1_555 |
3 |
1 |
588 |
22.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
|
[MG]A:314 |
1 |
1 |
98 |
f |
[TPP]B:308 |
x,y,z |
1_555 |
3 |
1 |
587 |
22.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
22.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.028 |
23 |
37 |
|
[MG]A:313 |
1 |
1 |
98 |
f |
[TPP]A:308 |
x,y,z |
1_555 |
3 |
1 |
588 |
20.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
[TPP]B:308 |
x,y,z |
1_555 |
3 |
1 |
587 |
20.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
20.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.025 |
24 |
39 |
|
[MG]A:311 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16199 |
19.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
40 |
|
[MG]A:314 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15640 |
18.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
19.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
25 |
41 |
|
[ADP]A:307 |
3 |
1 |
534 |
f |
[MG]B:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.026 |
42 |
|
[ADP]B:307 |
3 |
1 |
539 |
f |
[MG]A:313 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
19.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.026 |
26 |
43 |
|
[MG]A:314 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
16199 |
17.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
44 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
15640 |
16.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
27 |
45 |
|
[MG]B:312 |
1 |
1 |
98 |
f |
[MG]B:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.009 |
28 |
46 |
|
[MG]A:313 |
1 |
1 |
98 |
f |
[MG]A:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
29 |
47 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
[MG]A:314 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
48 |
|
[MG]A:313 |
1 |
1 |
98 |
f |
[MG]A:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
49 |
|
[ADP]A:307 |
3 |
1 |
534 |
f |
[MG]B:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
50 |
|
[ADP]B:307 |
3 |
1 |
539 |
f |
[MG]A:312 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
7.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
32 |
51 |
|
[MG]B:309 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15640 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
52 |
|
[MG]A:310 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16199 |
5.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
53 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
[MG]B:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
34 |
54 |
|
[MG]A:313 |
1 |
1 |
98 |
f |
[MG]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
35 |
55 |
|
[MG]B:309 |
1 |
1 |
98 |
f |
[MG]A:314 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
36 |
56 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
[MG]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
37 |
57 |
|
[MG]A:309 |
1 |
1 |
98 |
f |
[TPP]A:308 |
x,y,z |
1_555 |
1 |
1 |
588 |
4.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
58 |
|
[MG]B:312 |
1 |
1 |
98 |
f |
[TPP]B:308 |
x,y,z |
1_555 |
2 |
1 |
587 |
3.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
38 |
59 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
[MG]A:314 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
39 |
60 |
|
[MG]A:312 |
1 |
1 |
98 |
f |
[MG]A:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
40 |
61 |
|
[MG]B:312 |
1 |
1 |
98 |
f |
[MG]B:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
62 |
|
[MG]A:313 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16199 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
[MG]A:310 |
1 |
1 |
98 |
f |
[MG]A:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|